Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50331708'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50331708 (6,7-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...) Show SMILES OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3NO/c14-8-4-7-6-2-1-3-12(20,13(16,17)18)11(6)19-10(7)5-9(8)15/h4-5,19-20H,1-3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Radius Health, Inc. Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by fluorescence binding assay				Bioorg Med Chem Lett 20: 7516-20 (2010) Article DOI: 10.1016/j.bmcl.2010.09.140 BindingDB Entry DOI: 10.7270/Q2FJ2HR0
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Androgen receptor (Homo sapiens (Human))	BDBM50331708 (6,7-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...) Show SMILES OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3NO/c14-8-4-7-6-2-1-3-12(20,13(16,17)18)11(6)19-10(7)5-9(8)15/h4-5,19-20H,1-3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	25
Radius Health, Inc. US Patent					Assay Description In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compound...				US Patent US8987319 (2015) BindingDB Entry DOI: 10.7270/Q2MG7N7P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50331708 (6,7-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydr...) Show SMILES OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F Show InChI InChI=1S/C13H10Cl2F3NO/c14-8-4-7-6-2-1-3-12(20,13(16,17)18)11(6)19-10(7)5-9(8)15/h4-5,19-20H,1-3H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114119 BindingDB Entry DOI: 10.7270/Q2P55SHP
					More data for this Ligand-Target Pair